September 23, 2025IUCrJOpen Access

A survey of crystallographic quality metrics from CIFs in the Cambridge Structural Database

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The study reveals variability in crystallographic quality metrics across different structural types.
Rigorous statistical analysis highlights additional metrics beyond the traditional R factor for structure refinement quality.
The findings assist researchers in selecting suitable datasets for future reuse in their studies.
A comprehensive exploration of the Cambridge Structural Database can enhance the understanding of crystallographic data.

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This survey assesses quality metrics from crystallographic information files (CIFs), indicating variable structure refinements.

Tovee et al. (2025) studied this question.

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